Difference between revisions of "CPD-10283"

Latest revision as of 11:14, 18 March 2021

common-name:
- 3-oxo-behenoyl-coa
smiles:
- cccccccccccccccccccc(=o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
inchi-key:
- rkcogguhkptoqj-gnsuaqhmsa-j
molecular-weight:
- 1100.059

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-18493 ==
+== Metabolite CPD-10283 ==
 * common-name:
-** (3s)-hydroxy-(6z,9z,12z,15z,18z)-tetracosapentaenoyl-coa
+** 3-oxo-behenoyl-coa
 * smiles:
-** cccccc=ccc=ccc=ccc=ccc=cccc(o)cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])=o
+** cccccccccccccccccccc(=o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
 * inchi-key:
-** nneppynerzejee-vugypbmhsa-j
+** rkcogguhkptoqj-gnsuaqhmsa-j
 * molecular-weight:
-** 1120.05
+** 1100.059
 == Reaction(s) known to consume the compound ==
+* [[RXN-13299]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-17114]]
+* [[RXN-13295]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(3s)-hydroxy-(6z,9z,12z,15z,18z)-tetracosapentaenoyl-coa}}
+{{#set: common-name=3-oxo-behenoyl-coa}}
-{{#set: inchi-key=inchikey=nneppynerzejee-vugypbmhsa-j}}
+{{#set: inchi-key=inchikey=rkcogguhkptoqj-gnsuaqhmsa-j}}
-{{#set: molecular-weight=1120.05}}
+{{#set: molecular-weight=1100.059}}